@<TRIPOS>MOLECULE
BindingDB_50240933
 37 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        27.1985   43.3158   13.9141  S     
2    C        27.6203   44.1293   15.3903  C     
3    C        28.2055   44.0091   17.7717  C     
4    N        29.2059   43.8832   20.0555  N     
5    C        28.3845   45.4175   17.8013  C     
6    C        27.7890   43.3841   16.5749  C     
7    O        27.5306   41.7616   13.9742  O     
8    O        25.6195   43.4549   13.8101  O     
9    N        27.9033   43.9570   12.5212  N     
10   C        28.4663   43.1791   18.9802  C     
11   C        28.8311   46.1155   19.0327  C     
12   C        27.8153   45.5259   15.4207  C     
13   C        28.1990   46.1626   16.6136  C     
14   C        28.7022   45.2516   20.3254  C     
15   O        30.6325   46.5186   21.2220  O     
16   C        27.3369   43.7760   11.2283  C     
17   C        29.4147   45.8639   21.5587  C     
18   C        27.8812   44.8360   10.2488  C     
19   H        29.1428   43.3128   20.9028  H     
20   H        30.1881   43.9456   19.7840  H     
21   H        27.6390   42.3718   16.5675  H     
22   H        28.8548   44.1479   12.5540  H     
23   H        27.5056   42.8245   19.3649  H     
24   H        29.0617   42.3019   18.7052  H     
25   H        29.8708   46.3988   18.8664  H     
26   H        28.2495   47.0281   19.1644  H     
27   H        27.6963   46.0837   14.5706  H     
28   H        28.3736   47.1697   16.6039  H     
29   H        27.6422   45.1616   20.5887  H     
30   H        31.1474   45.8702   20.7014  H     
31   H        27.5865   42.7782   10.8632  H     
32   H        26.2502   43.8639   11.2616  H     
33   H        28.7666   46.6009   22.0372  H     
34   H        29.6222   45.0811   22.2908  H     
35   H        27.6969   45.8425   10.6374  H     
36   H        27.3816   44.7385    9.2832  H     
37   H        28.9544   44.7017   10.1062  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 2
     3    1    8 2
     4    1    9 1
     5    2    6 1
     6    2   12 2
     7    3    5 1
     8    3    6 2
     9    3   10 1
    10    4   10 1
    11    4   14 1
    12    5   11 1
    13    5   13 2
    14    9   16 1
    15   11   14 1
    16   12   13 1
    17   14   17 1
    18   15   17 1
    19   16   18 1
    20    4   19 1
    21    4   20 1
    22    6   21 1
    23    9   22 1
    24   10   23 1
    25   10   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   13   28 1
    30   14   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   18   35 1
    37   18   36 1
    38   18   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4164
  Crash		| -3.0331
  Polar		| 3.5162
  FragIndex	| 1
  FragRMSD	| 1.086